(2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one

C9H14O5 — CID 139584013

IUPAC(2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one
SMILESC[C@H](O)[C@H](O)C1=C[C@H]([C@H](C)O)OC1=O
InChIInChI=1S/C9H14O5/c1-4(10)7-3-6(9(13)14-7)8(12)5(2)11/h3-5,7-8,10-12H,1-2H3/t4-,5-,7+,8-/m0/s1
InChIKeyARUCEWIJCNEASJ-MGVQOFIGSA-N
MW202.21 g/mol
LogP-1.04
Rot. Bonds3

About (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one

(2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one (PubChem CID 139584013) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one
PubChem CID139584013
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name(2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one
SMILESC[C@H](O)[C@H](O)C1=C[C@H]([C@H](C)O)OC1=O
InChIInChI=1S/C9H14O5/c1-4(10)7-3-6(9(13)14-7)8(12)5(2)11/h3-5,7-8,10-12H,1-2H3/t4-,5-,7+,8-/m0/s1
InChIKeyARUCEWIJCNEASJ-MGVQOFIGSA-N
XLogP-1.04
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one?
The IUPAC name of (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one (CID 139584013) is (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one is C[C@H](O)[C@H](O)C1=C[C@H]([C@H](C)O)OC1=O.
What is the InChIKey of (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one?
The InChIKey is ARUCEWIJCNEASJ-MGVQOFIGSA-N. The full InChI is InChI=1S/C9H14O5/c1-4(10)7-3-6(9(13)14-7)8(12)5(2)11/h3-5,7-8,10-12H,1-2H3/t4-,5-,7+,8-/m0/s1.
What are the key properties of (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one?
(2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one has a molecular weight of 202.21 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-furan-5-one is sourced from PubChem (CID 139584013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).